(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate

C25H21NO5 — CID 16612383

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21NO5/c1-16(27)17-11-12-23(30-2)18(13-17)15-31-24(28)14-26-21-9-5-3-7-19(21)25(29)20-8-4-6-10-22(20)26/h3-13H,14-15H2,1-2H3
InChIKeyPNWMXLWNEZMLFH-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.11
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate

(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612383) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612383
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H21NO5/c1-16(27)17-11-12-23(30-2)18(13-17)15-31-24(28)14-26-21-9-5-3-7-19(21)25(29)20-8-4-6-10-22(20)26/h3-13H,14-15H2,1-2H3
InChIKeyPNWMXLWNEZMLFH-UHFFFAOYSA-N
XLogP4.11
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783690
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
(5-acetyl-2-methoxyphenyl)methyl 1-methylindole-3-carboxylate
CID 46822526
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16587182
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795703
(5-acetyl-2-methoxyphenyl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270576
(5-acetyl-2-methoxyphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793463
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
(5-acetyl-2-methoxyphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748001
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate (CID 16612383) is (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate is COc1ccc(C(C)=O)cc1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is PNWMXLWNEZMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-16(27)17-11-12-23(30-2)18(13-17)15-31-24(28)14-26-21-9-5-3-7-19(21)25(29)20-8-4-6-10-22(20)26/h3-13H,14-15H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 415.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).